- InChI
- InChI=1S/C14H22N2O4/c17-13-15(5-7-19-13)9-11-1-2-12(4-3-11)10-16-6-8-20-14(16)18/h11-12H,1-10H2
- InChI Key
- KYNPVIKJNMTYNM-UHFFFAOYSA-N
- Formula
- C14H22N2O4
- SMILES
- O=C1OCCN1CC1CCC(CN2CCOC2=O)CC1
- Molecular Weight1
- 282.34
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6868 | Relay (1.0) Calculated Property | |
| ΔfG° | -127.72 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -751.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.697 | Crippen Calculated Property | |
| McVol | 210.380 | ml/mol | McGowan Calculated Property |
| Pc | 1656.29 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 661.88 | K | Relay (1.0) Calculated Property |
| Tc | 900.82 | K | Relay (1.0) Calculated Property |
| Tfus | 375.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, ethyl ester.](data:image/png;base64,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)
Find more compounds similar to (Oxazolidin-2-one-3-methyl)cyclohexane, 1,4-bis-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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